(3,5-dimethylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (3,5-dimethylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H27NO4S/c1-16-4-6-21(7-5-16)28(25,26)23-10-8-20(9-11-23)22(24)27-15-19-13-17(2)12-18(3)14-19/h4-7,12-14,20H,8-11,15H2,1-3H3